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87427-73-4 | 2H-1,3,4-Thiadiazin-2-one, 5-(3-chloro-4-methylphenyl)-3,6-dihydro-
CAS No: 87427-73-4 Catalog No: AG004MW3 MDL No:
Product Description
Catalog Number:
AG004MW3
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 5-(3-chloro-4-methylphenyl)-3,6-dihydro-
CAS Number:
87427-73-4
Molecular Formula:
C10H9ClN2OS
Molecular Weight:
240.7093
IUPAC Name:
5-(3-chloro-4-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C10H9ClN2OS/c1-6-2-3-7(4-8(6)11)9-5-15-10(14)13-12-9/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
OERNDOWDWJUFID-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1ccc(c(c1)Cl)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.705g/mol
Monoisotopic Mass:
240.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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